free_c=`grep energy\ without $cfile | tail -1 | awk '{ print $8 }'`
echo " Si correction: $free_si eV, C correction: $free_c eV"
-
+#echo "-> $energy | $total | $sicnt | $ccnt | $free_si | $free_c <-"
echo $energy $total | \
awk '{ print " total e: " $1 " eV, per atom: " $1/$2 " eV"}'
echo "$energy $sicnt $ccnt $free_si $free_c" | \
- awk '{ print " cohesive energy (Si and C): " ($1-$2*$4-$3*$5)/($2+$3) " eV" }'
+ awk '{ print " cohesive energy (Si and C): " ($1-$2*$4-$3*$5)/($2+$3) " eV, " $1-$2*$4-$3*$5 " eV" }'
echo "$energy $sicnt $free_c" | \
- awk '{ print " cohesive energy (C only): " ($1-$2*$3)/$2 " eV" }'
+ awk '{ print " cohesive energy (C only): " ($1-$2*$3)/$2 " eV, " $1-$2*$3 " eV" }'
#echo "$energy $total $free_si_250" | \
# awk '{ print " cohesive energy (Si only 250): " ($1-$2*$3)/$2 " eV" }'
#echo "$energy $sicnt $free_c_650" | \